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A Tri-Salt Composite Electrolyte with Temperature Switch Function for Intelligently Temperature-Controlled Lithium Batteries 用于智能温控锂电池的具有温度开关功能的三盐复合电解质
IF 15 2区 材料科学 Q1 Environmental Science Pub Date : 2024-05-26 DOI: 10.1002/eem2.12745
Ende Fu, Huimin Wang, Yating Zhang, Zhenxue Xiao, Xiu Zheng, Shuai Hao, Xueping Gao
The intense research of lithium-ion batteries has been motivated by their successful applications in mobile devices and electronic vehicles. The emerging of intelligent control in kinds of devices brings new requirements for battery systems. The high-energy lithium batteries are expected to respond or react under different environmental conditions. In this work, a tri-salt composite electrolyte is designed with a temperature switch function for intelligently temperature-controlled lithium batteries. Specifically, the halide Li3YBr6 together with LiTFSI and LiNO3 works as active fillers in a low-melting-point polymer matrix (polyethyleneglycol dimethyl ether (PEGDME) and polyethylene oxide (PEO)), which is further filled into the pre-lithiated alumina fiber skeleton. Above 60 °C, the composite electrolyte exists in the liquid state and fully contacts with the working electrodes on the liquid–solid interface, effectively minimizing the interfacial resistance and leading to high discharge capacity in the cell. The electrolyte is changed into a solid state below 30 °C so that the ionic conductivity is significantly reduced and the interface resistance is increased dramatically on the solid–solid interface. Therefore, by simply adjusting the temperature, the cell can be turned “ON” or “OFF” intentionally. This novel function of the composite electrolyte has enlightening significance in developing intelligently temperature-controlled lithium batteries.
锂离子电池在移动设备和电子汽车中的成功应用推动了对锂离子电池的深入研究。各种设备中出现的智能控制对电池系统提出了新的要求。高能锂电池需要在不同的环境条件下做出反应。本研究设计了一种具有温度开关功能的三盐复合电解质,用于智能温控锂电池。具体来说,卤化物 Li3YBr6 与 LiTFSI 和 LiNO3 一起作为活性填料加入低熔点聚合物基质(聚乙二醇二甲醚 (PEGDME) 和聚氧化乙烯 (PEO)),并进一步填充到预石灰化的氧化铝纤维骨架中。温度高于 60 °C 时,复合电解质呈液态,并在液固界面上与工作电极充分接触,从而有效地将界面电阻降至最低,使电池具有较高的放电容量。电解质在低于 30 °C 时会转变为固态,因此离子导电率会显著降低,固-固界面上的界面电阻也会急剧增加。因此,只需调节温度,就能有意识地 "开启 "或 "关闭 "电池。复合电解质的这种新功能对开发智能温控锂电池具有启迪意义。
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引用次数: 0
Effects of Rattling Behavior of K and Cd Atoms along Different Directions in Anisotropic KCdAs on Lattice Thermal Transport and Thermoelectric Properties 各向异性 KCdAs 中 K 原子和镉原子沿不同方向的响动行为对晶格热传输和热电性能的影响
IF 15 2区 材料科学 Q1 Environmental Science Pub Date : 2024-05-26 DOI: 10.1002/eem2.12764
Yue Wang, Yinchang Zhao, Jun Ni, Zhenhong Dai
We employ advanced first principles methodology, merging self-consistent phonon theory and the Boltzmann transport equation, to comprehensively explore the thermal transport and thermoelectric properties of KCdAs. Notably, the study accounts for the impact of quartic anharmonicity on phonon group velocities in the pursuit of lattice thermal conductivity and investigates 3ph and 4ph scattering processes on phonon lifetimes. Through various methodologies, including examining atomic vibrational modes and analyzing 3ph and 4ph scattering processes, the article unveils microphysical mechanisms contributing to the low κL within KCdAs. Key features include significant anisotropy in Cd atoms, pronounced anharmonicity in K atoms, and relative vibrations in non-equivalent As atomic layers. Cd atoms, situated between As layers, exhibit rattling modes and strong lattice anharmonicity, contributing to the observed low κL. Remarkably flat bands near the valence band maximum translate into high PF, aligning with ultralow κL for exceptional thermoelectric performance. Under optimal temperature and carrier concentration doping, outstanding ZT values are achieved: 4.25 (a(b)-axis, p-type, 3 × 1019 cm−3, 500 K), 0.90 (c-axis, p-type, 5 × 1020 cm−3, 700 K), 1.61 (a(b)-axis, n-type, 2 × 1018 cm−3, 700 K), and 3.06 (c-axis, n-type, 9 × 1017 cm−3, 700 K).
我们采用先进的第一原理方法,融合自洽声子理论和玻尔兹曼输运方程,全面探索了 KCdAs 的热输运和热电性能。值得注意的是,这项研究在追求晶格热导率的过程中考虑到了四次方非谐波对声子群速度的影响,并研究了声子寿命的 3ph 和 4ph 散射过程。文章通过各种方法(包括检查原子振动模式和分析 3ph 和 4ph 散射过程),揭示了导致 KCdAs 内低 κL 的微观物理机制。主要特征包括镉原子的明显各向异性、K 原子的明显非谐波性以及非等价砷原子层的相对振动。位于砷原子层之间的镉原子表现出嘎嘎作响的模式和强烈的晶格非谐振性,从而导致了所观察到的低κL。价带最大值附近的显著平坦带转化为高 PF,与超低 κL 相结合,实现了卓越的热电性能。在最佳温度和载流子浓度掺杂条件下,可实现出色的 ZT 值:4.25(a(b)轴,p 型,3 × 1019 cm-3,500 K)、0.90(c 轴,p 型,5 × 1020 cm-3,700 K)、1.61(a(b)轴,n 型,2 × 1018 cm-3,700 K)和 3.06(c 轴,n 型,9 × 1017 cm-3,700 K)。
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引用次数: 0
High-Safety Anode Materials for Advanced Lithium-Ion Batteries 用于先进锂离子电池的高安全性阳极材料
IF 13 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-05-16 DOI: 10.1002/eem2.12759
Kai Yuan, Yu Lin, Xiang Li, Yufeng Ding, Peng Yu, Jian Peng, Jiazhao Wang, HuaKun Liu, Shixue Dou

Lithium-ion batteries (LIBs) play a pivotal role in today's society, with widespread applications in portable electronics, electric vehicles, and smart grids. Commercial LIBs predominantly utilize graphite anodes due to their high energy density and cost-effectiveness. Graphite anodes face challenges, however, in extreme safety-demanding situations, such as airplanes and passenger ships. The lithiation of graphite can potentially form lithium dendrites at low temperatures, causing short circuits. Additionally, the dissolution of the solid-electrolyte-interphase on graphite surfaces at high temperatures can lead to intense reactions with the electrolyte, initiating thermal runaway. This review introduces two promising high-safety anode materials, Li4Ti5O12 and TiNb2O7. Both materials exhibit low tendencies towards lithium dendrite formation and have high onset temperatures for reactions with the electrolyte, resulting in reduced heat generation and significantly lower probabilities of thermal runaway. Li4Ti5O12 and TiNb2O7 offer enhanced safety characteristics compared to graphite, making them suitable for applications with stringent safety requirements. This review provides a comprehensive overview of Li4Ti5O12 and TiNb2O7, focusing on their material properties and practical applicability. It aims to contribute to the understanding and development of high-safety anode materials for advanced LIBs, addressing the challenges and opportunities associated with their implementation in real-world applications.

锂离子电池(LIB)在当今社会发挥着举足轻重的作用,广泛应用于便携式电子产品、电动汽车和智能电网。商用锂离子电池主要使用石墨阳极,因为石墨阳极具有高能量密度和成本效益。然而,在飞机和客轮等对安全要求极高的场合,石墨阳极面临着挑战。石墨的锂化可能会在低温下形成锂枝晶,造成短路。此外,石墨表面的固体-电解质-间相在高温下溶解会导致与电解质发生激烈反应,引发热失控。本综述介绍了两种很有前途的高安全性负极材料:Li4Ti5O12 和 TiNb2O7。这两种材料都表现出较低的锂枝晶形成倾向,并且与电解质反应的起始温度较高,从而减少了热量的产生,大大降低了热失控的概率。与石墨相比,Li4Ti5O12 和 TiNb2O7 具有更高的安全特性,因此适用于具有严格安全要求的应用。本综述全面概述了 Li4Ti5O12 和 TiNb2O7,重点介绍了它们的材料特性和实际应用性。该综述旨在帮助人们了解和开发用于先进锂电池的高安全性负极材料,并探讨在实际应用中实施这些材料所面临的挑战和机遇。
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引用次数: 0
Outstanding Lithium Storage Performance of a Copper-Coordinated Metal-Covalent Organic Framework as Anode Material for Lithium-Ion Batteries 铜配位金属共价有机框架作为锂离子电池负极材料的出色储锂性能
IF 13 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-05-15 DOI: 10.1002/eem2.12732
Derong Luo, Huizi Zhao, Feng Liu, Hai Xu, Xiaoyu Dong, Bing Ding, Hui Dou, Xiaogang Zhang

Metal-covalent organic frameworks (MCOF) as a bridge between covalent organic framework (COF) and metal organic framework (MOF) possess the characteristics of open metal sites, structure stability, crystallinity, tunability as well as porosity, but still in its infancy. In this work, a covalent organic framework DT-COF with a keto-enamine structure synthesized from the condensation of 3,3′-dihydroxybiphenyl diamine (DHBD) and triformylphloroglucinol (TFP) was coordinated with Cu2+ by a simple post-modification method to a obtain a copper-coordinated metal-covalent organic framework of Cu-DT COF. The isomerization from a keto-enamine structure of DT-COF to a enol-imine structure of Cu-DT COF is induced due to the coordination interaction of Cu2+. The structure change of Cu-DT COF induces the change of the electron distribution in the Cu-DT COF, which greatly promotes the activation and deep Li-storage behavior of the COF skeleton. As anode material for lithium-ion batteries (LIBs), Cu-DT COF exhibits greatly improved electrochemical performance, retaining the specific capacities of 760 mAh g−1 after 200 cycles and 505 mAh g−1 after 500 cycles at a current density of 0.5 A g−1. The preliminary lithium storage mechanism studies indicate that Cu2+ is also involved in the lithium storage process. A possible mechanism for Cu-DT COF was proposed on the basis of FT-IR, XPS, EPR characterization and electrochemical analysis. This work enlightens a novel strategy to improve the energy storage performance of COF and promotes the application of COF and MCOF in LIBs.

金属-共价有机框架(MCOF)作为共价有机框架(COF)和金属有机框架(MOF)之间的桥梁,具有金属位点开放、结构稳定、结晶性好、可调性强以及孔隙率高等特点,但目前仍处于起步阶段。在这项工作中,通过简单的后修饰方法,将 3,3′-二羟基联苯二胺(DHBD)和三三甲基氯葡萄糖醇(TFP)缩合合成的具有酮烯胺结构的共价有机框架 DT-COF 与 Cu2+ 配位,得到了 Cu-DT COF 铜配位金属共价有机框架。由于 Cu2+ 的配位作用,DT-COF 的酮烯胺结构异构化为 Cu-DT COF 的烯醇亚胺结构。Cu-DT COF 结构的变化引起了 Cu-DT COF 中电子分布的变化,从而极大地促进了 COF 骨架的活化和深度储锂行为。作为锂离子电池(LIBs)的负极材料,Cu-DT COF 的电化学性能大大提高,在电流密度为 0.5 A g-1 的条件下,循环 200 次后比容量仍为 760 mAh g-1,循环 500 次后比容量仍为 505 mAh g-1。初步的储锂机理研究表明,Cu2+ 也参与了储锂过程。根据 FT-IR、XPS、EPR 表征和电化学分析,提出了 Cu-DT COF 的可能机理。这项工作为提高 COF 的储能性能提供了一种新的策略,并促进了 COF 和 MCOF 在锂离子电池中的应用。
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引用次数: 0
Hydrogen Spillover Effect in Electrocatalysis: Delving into the Mysteries of the Atomic Migration 电催化中的氢溢出效应:探索原子迁移的奥秘
IF 13 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-05-15 DOI: 10.1002/eem2.12761
Ashish Gaur, Jatin Sharma, HyukSu Han

Hydrogen spillover effect has recently garnered a lot of attention in the field of electrocatalytic hydrogen evolution reactions. A new avenue for understanding the dynamic behavior of atomic migration in which hydrogen atoms moving on a catalyst surface was opened up by the setup of the word “hydrogen spillover.” However, there is currently a dearth of thorough knowledge regarding the hydrogen spillover effect. Currently, the advancement of sophisticated characterization procedures offers progressively useful information to enhance our grasp of the hydrogen spillover effect. The understanding of material fabrication for hydrogen spillover effect has erupted. Considering these factors, we made an effort to review most of the articles published on the hydrogen spillover effect and carefully analyzed the aspect of material fabrication. All of our attention has been directed toward the molecular pathway that leads to improve hydrogen evolution reactions performance. In addition, we have attempted to elucidate the spillover paths through the utilization of DFT calculations. Furthermore, we provide some preliminary research suggestions and highlight the opportunities and obstacles that are still to be confronted in this study area.

氢溢出效应最近在电催化氢气进化反应领域引起了广泛关注。氢溢出 "一词的出现为理解氢原子在催化剂表面移动的原子迁移动态行为开辟了一条新途径。然而,目前人们对氢溢出效应还缺乏全面的了解。目前,先进的表征程序为我们提供了越来越多的有用信息,有助于我们更好地掌握氢溢出效应。对氢溢出效应材料制造的了解也在不断深入。考虑到这些因素,我们努力回顾了已发表的大部分有关氢溢出效应的文章,并仔细分析了材料制造方面的问题。我们的注意力全部集中在提高氢气进化反应性能的分子途径上。此外,我们还尝试利用 DFT 计算来阐明溢出路径。此外,我们还提供了一些初步研究建议,并强调了该研究领域仍需面对的机遇和障碍。
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引用次数: 0
Scalable Jet-Based Fabrication of PEI-Hydrogel Particles for CO2 Capture 基于可扩展喷射技术制造用于二氧化碳捕获的聚乙烯醇缩水甘油醚(PEI-Hydrogel)颗粒
IF 15 2区 材料科学 Q1 Environmental Science Pub Date : 2024-05-13 DOI: 10.1002/eem2.12748
Jieke Jiang, Eline van Daatselaar, Hylke Wijnja, Tessa de Koning Gans, Michel Schellevis, Cornelis H. Venner, Derk W.F. Brilman, Claas Willem Visser
The capture, regeneration, and conversion of CO2 from ambient air and flue gas streams are critical aspects of mitigating global warming. Solid sorbents for CO2 absorption are very promising as they have high mass transfer areas without energy input and reduce emissions and minimize corrosion as compared to liquid sorbents. However, precisely tunable solid CO2 sorbents are difficult to produce. Here, we demonstrate the high-throughput production of hydrogel-based CO2-absorbing particles via liquid jetting. By wrapping a liquid jet consisting of an aqueous solution of cross-linkable branched polyethylenimine (PEI) with a layer of suspension containing hydrophobic silica nanoparticles, monodisperse droplets with a silica nanoparticle coating layer was formed in the air. A stable Pickering emulsion containing PEI droplets was obtained after these ejected droplets were collected in a heated oil bath. The droplets turn into mm-sized particles after thermal curing in the bath. The diameter, PEI content, and silica content of the particles were systematically varied, and their CO2 absorption was measured as a function of time. Steam regeneration of the particles enabled cyclic testing, revealing a CO2 absorption capacity of 6.5 ± 0.5 mol kg−1 solid PEI in pure CO2 environments and 0.7 ± 0.3 mol kg−1 solid PEI for direct air capture. Several thousands of particles were produced per second at a rate of around 0.5 kg per hour, with a single nozzle. This process can be further scaled by parallelization. The complete toolbox for the design, fabrication, testing, and regeneration of functional hydrogel particles provides a powerful route toward novel solid sorbents for regenerative CO2 capture.
从环境空气和烟道气流中捕获、再生和转化二氧化碳是减缓全球变暖的关键环节。用于吸收二氧化碳的固体吸附剂前景非常广阔,因为与液体吸附剂相比,它们具有高传质面积,无需能量输入,还能减少排放和腐蚀。然而,精确可调的固体二氧化碳吸附剂很难生产。在这里,我们展示了通过液体喷射高通量生产水凝胶基二氧化碳吸附颗粒的方法。通过将由可交联支化聚乙烯亚胺(PEI)水溶液组成的液体射流与一层含有疏水性二氧化硅纳米颗粒的悬浮液包裹在一起,在空气中形成了带有二氧化硅纳米颗粒包覆层的单分散液滴。在加热的油浴中收集这些喷出的液滴后,就得到了含有 PEI 液滴的稳定皮克林乳液。这些液滴在油浴中热固化后变成了毫米大小的颗粒。颗粒的直径、PEI 含量和二氧化硅含量被系统地改变,其二氧化碳吸收量随时间变化而测量。颗粒的蒸汽再生实现了循环测试,结果显示,在纯二氧化碳环境中,固体 PEI 的二氧化碳吸收能力为 6.5 ± 0.5 mol kg-1,而在直接空气捕获环境中,固体 PEI 的二氧化碳吸收能力为 0.7 ± 0.3 mol kg-1。使用单个喷嘴,每秒可生产数千个颗粒,速度约为每小时 0.5 千克。这一过程可以通过并行化进一步扩展。功能性水凝胶颗粒的设计、制造、测试和再生的完整工具箱为新型固体吸附剂的再生二氧化碳捕获提供了一条强有力的途径。
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引用次数: 0
Stabilized Nickel-Rich-Layered Oxide Electrodes for High-Performance Lithium-Ion Batteries 用于高性能锂离子电池的稳定镍-瑞克层氧化物电极
IF 15 2区 材料科学 Q1 Environmental Science Pub Date : 2024-05-13 DOI: 10.1002/eem2.12741
Zahra Ahaliabadeh, Ville Miikkulainen, Miia Mäntymäki, Mattia Colalongo, Seyedabolfazl Mousavihashemi, Lide Yao, Hua Jiang, Jouko Lahtinen, Timo Kankaanpää, Tanja Kallio
Next-generation Li-ion batteries are expected to exhibit superior energy and power density, along with extended cycle life. Ni-rich high-capacity layered nickel manganese cobalt oxide electrode materials (NMC) hold promise in achieving these objectives, despite facing challenges such as capacity fade due to various degradation modes. Crack formation within NMC-based cathode secondary particles, leading to parasitic reactions and the formation of inactive crystal structures, is a critical degradation mechanism. Mechanical and chemical degradation further deteriorate capacity and lifetime. To mitigate these issues, an artificial cathode electrolyte interphase can be applied to the active material before battery cycling. While atomic layer deposition (ALD) has been extensively explored for active material coatings, molecular layer deposition (MLD) offers a complementary approach. When combined with ALD, MLD enables the deposition of flexible hybrid coatings that can accommodate electrode material volume changes during battery operation. This study focuses on depositing -titanium terephthalate thin films on a electrode via ALD-MLD. The electrochemical evaluation demonstrates favorable lithium-ion kinetics and reduced electrolyte decomposition. Overall, the films deposited through ALD-MLD exhibit promising features as flexible and protective coatings for high-energy lithium-ion battery electrodes, offering potential contributions to the enhancement of advanced battery technologies and supporting the growth of the EV and stationary battery industries.
下一代锂离子电池有望表现出更高的能量和功率密度,同时延长循环寿命。富镍高容量层状镍锰钴氧化物电极材料(NMC)有望实现这些目标,尽管它面临着各种降解模式导致容量衰减等挑战。在基于 NMC 的阴极次生颗粒内形成裂缝,导致寄生反应和非活性晶体结构的形成,是一种关键的降解机制。机械和化学降解会进一步恶化容量和寿命。为了缓解这些问题,可以在电池循环之前在活性材料上涂抹人工阴极电解质中间相。原子层沉积(ALD)已被广泛用于活性材料涂层,而分子层沉积(MLD)则提供了一种补充方法。当分子层沉积与原子层沉积相结合时,就能沉积出灵活的混合涂层,以适应电池运行过程中电极材料体积的变化。本研究的重点是通过 ALD-MLD 在电极上沉积对苯二甲酸钛薄膜。电化学评估结果表明,锂离子动力学良好,电解质分解减少。总之,通过 ALD-MLD 沉积的薄膜作为高能量锂离子电池电极的柔性保护涂层表现出了良好的特性,为提高先进电池技术和支持电动汽车和固定电池行业的发展做出了潜在的贡献。
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引用次数: 0
Nickel–Nitrogen–Carbon (Ni–N–C) Electrocatalysts Toward CO2 electroreduction to CO: Advances, Optimizations, Challenges, and Prospects 镍-氮-碳(Ni-N-C)电催化剂用于将二氧化碳电还原为一氧化碳:进展、优化、挑战与前景
IF 13 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-05-13 DOI: 10.1002/eem2.12731
Qingqing Pang, Xizheng Fan, Kaihang Sun, Kun Xiang, Baojun Li, Shufang Zhao, Young Dok Kim, Qiaoyun Liu, Zhongyi Liu, Zhikun Peng

Electrocatalytic reduction of CO2 into high energy-density fuels and value-added chemicals under mild conditions can promote the sustainable cycle of carbon and decrease current energy and environmental problems. Constructing electrocatalyst with high activity, selectivity, stability, and low cost is really matter to realize industrial application of electrocatalytic CO2 reduction (ECR). Metal–nitrogen–carbon (M–N–C), especially Ni–N–C, display excellent performance, such as nearly 100% CO selectivity, high current density, outstanding tolerance, etc., which is considered to possess broad application prospects. Based on the current research status, starting from the mechanism of ECR and the existence form of Ni active species, the latest research progress of Ni–N–C electrocatalysts in CO2 electroreduction is systematically summarized. An overview is emphatically interpreted on the regulatory strategies for activity optimization over Ni–N–C, including N coordination modulation, vacancy defects construction, morphology design, surface modification, heteroatom activation, and bimetallic cooperation. Finally, some urgent problems and future prospects on designing Ni–N–C catalysts for ECR are discussed. This review aims to provide the guidance for the design and development of Ni–N–C catalysts with practical application.

在温和条件下,电催化将二氧化碳还原成高能量密度燃料和高附加值化学品,可以促进碳的可持续循环,减少当前的能源和环境问题。构建高活性、高选择性、高稳定性和低成本的电催化剂是实现电催化二氧化碳还原(ECR)工业应用的关键。金属-氮-碳(M-N-C),尤其是 Ni-N-C 具有近 100% 的 CO 选择性、高电流密度、优异的耐受性等优异性能,具有广阔的应用前景。基于目前的研究现状,从 ECR 的机理和 Ni 活性物种的存在形式入手,系统地总结了 Ni-N-C 电催化剂在 CO2 电还原中的最新研究进展。重点解读了 Ni-N-C 活性优化的调控策略,包括 N 配位调控、空位缺陷构建、形貌设计、表面改性、杂原子活化和双金属合作。最后,还讨论了设计用于 ECR 的 Ni-N-C 催化剂的一些亟待解决的问题和未来展望。本综述旨在为设计和开发具有实际应用价值的 Ni-N-C 催化剂提供指导。
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引用次数: 0
Continuous Lithium-Ion Extraction From Seawater and Mine Water With a Fuel Cell System and Ceramic Membranes 利用燃料电池系统和陶瓷膜从海水和矿井水中连续提取锂离子
IF 15 2区 材料科学 Q1 Environmental Science Pub Date : 2024-05-12 DOI: 10.1002/eem2.12742
Cansu Kök, Lei Wang, Jean Gustavo A. Ruthes, Antje Quade, Matthew E. Suss, Volker Presser
The demand for electronic devices that utilize lithium is steadily increasing in this rapidly advancing technological world. Obtaining high-purity lithium in an environmentally friendly way is challenging by using commercialized methods. Herein, we propose the first fuel cell system for continuous lithium-ion extraction using a lithium superionic conductor membrane and advanced electrode. The fuel cell system for extracting lithium-ion has demonstrated a twofold increase in the selectivity of Li+/Na+ while producing electricity. Our data show that the fuel cell with a titania-coated electrode achieves 95% lithium-ion purity while generating 10.23 Wh of energy per gram of lithium. Our investigation revealed that using atomic layer deposition improved the electrode's uniformity, stability, and electrocatalytic activity. After 2000 cycles determined by cyclic voltammetry, the electrode preserved its stability.
在科技飞速发展的今天,人们对使用锂的电子设备的需求稳步增长。使用商业化方法以环保方式获得高纯度锂具有挑战性。在此,我们提出了首个使用锂超离子导体膜和先进电极连续提取锂离子的燃料电池系统。该萃取锂离子的燃料电池系统在发电的同时,将 Li+/Na+ 的选择性提高了两倍。我们的数据显示,采用二氧化钛涂层电极的燃料电池可实现 95% 的锂离子纯度,同时每克锂可产生 10.23 Wh 的能量。我们的研究表明,原子层沉积技术提高了电极的均匀性、稳定性和电催化活性。根据循环伏安法测定,经过 2000 次循环后,电极仍然保持稳定。
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引用次数: 0
Ab Initio Design of Ni-Rich Cathode Material with Assistance of Machine Learning for High Energy Lithium-Ion Batteries 利用机器学习技术设计高能锂离子电池的富镍阴极材料
IF 15 2区 材料科学 Q1 Environmental Science Pub Date : 2024-05-11 DOI: 10.1002/eem2.12744
Xinyu Zhang, Daobin Mu, Shijie Lu, Yuanxing Zhang, Yuxiang Zhang, Zhuolin Yang, Zhikun Zhao, Borong Wu, Feng Wu
With the widespread use of lithium-ion batteries in electric vehicles, energy storage, and mobile terminals, there is an urgent need to develop cathode materials with specific properties. However, existing material control synthesis routes based on repetitive experiments are often costly and inefficient, which is unsuitable for the broader application of novel materials. The development of machine learning and its combination with materials design offers a potential pathway for optimizing materials. Here, we present a design synthesis paradigm for developing high energy Ni-rich cathodes with thermal/kinetic simulation and propose a coupled image-morphology machine learning model. The paradigm can accurately predict the reaction conditions required for synthesizing cathode precursors with specific morphologies, helping to shorten the experimental duration and costs. After the model-guided design synthesis, cathode materials with different morphological characteristics can be obtained, and the best shows a high discharge capacity of 206 mAh g−1 at 0.1C and 83% capacity retention after 200 cycles. This work provides guidance for designing cathode materials for lithium-ion batteries, which may point the way to a fast and cost-effective direction for controlling the morphology of all types of particles.
随着锂离子电池在电动汽车、能源存储和移动终端中的广泛应用,迫切需要开发具有特殊性能的正极材料。然而,现有的基于重复实验的材料控制合成路线往往成本高、效率低,不适合新型材料的广泛应用。机器学习的发展及其与材料设计的结合为优化材料提供了一条潜在的途径。在此,我们介绍了一种利用热/动力学模拟开发高能富镍阴极的设计合成范式,并提出了一种图像-形态耦合机器学习模型。该范例可准确预测合成具有特定形态的阴极前驱体所需的反应条件,有助于缩短实验时间并降低成本。在模型指导下设计合成后,可获得具有不同形态特征的阴极材料,其中最好的材料在 0.1C 时放电容量高达 206 mAh g-1,循环 200 次后容量保持率为 83%。这项工作为锂离子电池正极材料的设计提供了指导,为快速、经济地控制各类颗粒的形态指明了方向。
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Energy & Environmental Materials
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